7-chloro-N-(4-cyclopropylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide

C17H14ClN3O4S — CID 167306335

IUPAC7-chloro-N-(4-cyclopropylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
SMILESO=c1[nH]c2cc(Cl)c(S(=O)(=O)Nc3ccc(C4CC4)cc3)cc2[nH]c1=O
InChIInChI=1S/C17H14ClN3O4S/c18-12-7-13-14(20-17(23)16(22)19-13)8-15(12)26(24,25)21-11-5-3-10(4-6-11)9-1-2-9/h3-9,21H,1-2H2,(H,19,22)(H,20,23)
InChIKeyVHTFKXDPWBUJNJ-UHFFFAOYSA-N
MW391.84 g/mol
LogP2.55
Rot. Bonds4

About 7-chloro-N-(4-cyclopropylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide

7-chloro-N-(4-cyclopropylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide (PubChem CID 167306335) has the molecular formula C17H14ClN3O4S and a molecular weight of 391.84 g/mol. Its IUPAC name is 7-chloro-N-(4-cyclopropylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide.

Molecular Properties

Compound Name7-chloro-N-(4-cyclopropylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
PubChem CID167306335
Molecular FormulaC17H14ClN3O4S
Molecular Weight391.84 g/mol
Exact Mass391.04
IUPAC Name7-chloro-N-(4-cyclopropylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
SMILESO=c1[nH]c2cc(Cl)c(S(=O)(=O)Nc3ccc(C4CC4)cc3)cc2[nH]c1=O
InChIInChI=1S/C17H14ClN3O4S/c18-12-7-13-14(20-17(23)16(22)19-13)8-15(12)26(24,25)21-11-5-3-10(4-6-11)9-1-2-9/h3-9,21H,1-2H2,(H,19,22)(H,20,23)
InChIKeyVHTFKXDPWBUJNJ-UHFFFAOYSA-N
XLogP2.55
TPSA111.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.84
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(4-cyclopropyl-2-methylphenyl)-7-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 172503343
7-methyl-N-(4-methylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 20914020
N-[4-(2-chlorophenyl)phenyl]-7-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 172503383
6-chloro-N-(3-fluoro-4-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 53092136
N-[4-[(7-methyl-2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonylamino]phenyl]acetamide
CID 46276494
6-chloro-N-(3,5-dimethoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 53008995
6-chloro-2-oxo-N-[3-(trifluoromethyl)phenyl]-1,3-dihydrobenzimidazole-5-sulfonamide
CID 53092160
2-chloro-4-cyclopropylbenzenesulfonyl chloride
CID 46186536
7-bromo-2,3-dioxo-N-(4-propylphenyl)-1,4-dihydroquinoxaline-6-sulfonamide
CID 166464116
2,3-dioxo-N-(4-phenylcyclohexyl)-1,4-dihydroquinoxaline-6-sulfonamide
CID 34112148
N-[3-chloro-4-(3-chlorophenyl)phenyl]-7-fluoro-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 172503328
N-(3-chloro-4-thiophen-3-ylphenyl)-7-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 166464278

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(4-cyclopropylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide?
The IUPAC name of 7-chloro-N-(4-cyclopropylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide (CID 167306335) is 7-chloro-N-(4-cyclopropylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide.
What is the SMILES notation for 7-chloro-N-(4-cyclopropylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide?
The canonical SMILES for 7-chloro-N-(4-cyclopropylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide is O=c1[nH]c2cc(Cl)c(S(=O)(=O)Nc3ccc(C4CC4)cc3)cc2[nH]c1=O.
What is the InChIKey of 7-chloro-N-(4-cyclopropylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide?
The InChIKey is VHTFKXDPWBUJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O4S/c18-12-7-13-14(20-17(23)16(22)19-13)8-15(12)26(24,25)21-11-5-3-10(4-6-11)9-1-2-9/h3-9,21H,1-2H2,(H,19,22)(H,20,23).
What are the key properties of 7-chloro-N-(4-cyclopropylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide?
7-chloro-N-(4-cyclopropylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide has a molecular weight of 391.84 g/mol, XLogP of 2.55, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(4-cyclopropylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide is sourced from PubChem (CID 167306335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).